4-[2-(2-nitroimidazol-1-yl)ethyl]-2-oxidanyl-isoindole-1,3-dione

Systemtic Name: 4-[2-(2-nitroimidazol-1-yl)ethyl]-2-oxidanyl-isoindole-1,3-dione Openeye Name: 2-hydroxy-4-[2-(2-nitroimidazol-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-hydroxy-4-[2-(2-nitro-1-imidazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-hydroxy-4-[2-(2-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-hydroxy-4-[2-(2-nitroimidazol-1-yl)ethyl]isoindoline-1,3-quinone Formula: C13H10N4O5 MolecularWeight: 302.2423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCN3C=CN=C3[N+](=O)[O-])C(=O)N(C2=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)CCN3C=CN=C3[N+](=O)[O-])C(=O)N(C2=O)O

InChI

InChI=1S/C13H10N4O5/c18-11-9-3-1-2-8(10(9)12(19)16(11)20)4-6-15-7-5-14-13(15)17(21)22/h1-3,5,7,20H,4,6H2